General Information of the Compound
| Compound ID |
CP0377179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S,6S)-6-(3,4-dimethoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N4O2S
|
||||||||||||||||||
| Molecular Weight |
406.511
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)[C@@H]1C[C@H](N=C(N)S1)c1cccc(c1)-c1cncnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O2S/c1-27-19-7-6-16(9-20(19)28-2)21-10-18(26-22(23)29-21)15-5-3-4-14(8-15)17-11-24-13-25-12-17/h3-9,11-13,18,21H,10H2,1-2H3,(H2,23,26)/t18-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWMVRXRKSCIKJR-RXVVDRJESA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound